4-[[3-(benzotriazol-2-yl)-4-hydroxybenzoyl]amino]butyl prop-2-enoate

C20H20N4O4 — CID 171768604

IUPAC4-[[3-(benzotriazol-2-yl)-4-hydroxybenzoyl]amino]butyl prop-2-enoate
SMILESC=CC(=O)OCCCCNC(=O)c1ccc(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C20H20N4O4/c1-2-19(26)28-12-6-5-11-21-20(27)14-9-10-18(25)17(13-14)24-22-15-7-3-4-8-16(15)23-24/h2-4,7-10,13,25H,1,5-6,11-12H2,(H,21,27)
InChIKeySRRHECYVVSRERU-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.37
Rot. Bonds8

About 4-[[3-(benzotriazol-2-yl)-4-hydroxybenzoyl]amino]butyl prop-2-enoate

4-[[3-(benzotriazol-2-yl)-4-hydroxybenzoyl]amino]butyl prop-2-enoate (PubChem CID 171768604) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 4-[[3-(benzotriazol-2-yl)-4-hydroxybenzoyl]amino]butyl prop-2-enoate.

Molecular Properties

Compound Name4-[[3-(benzotriazol-2-yl)-4-hydroxybenzoyl]amino]butyl prop-2-enoate
PubChem CID171768604
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name4-[[3-(benzotriazol-2-yl)-4-hydroxybenzoyl]amino]butyl prop-2-enoate
SMILESC=CC(=O)OCCCCNC(=O)c1ccc(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C20H20N4O4/c1-2-19(26)28-12-6-5-11-21-20(27)14-9-10-18(25)17(13-14)24-22-15-7-3-4-8-16(15)23-24/h2-4,7-10,13,25H,1,5-6,11-12H2,(H,21,27)
InChIKeySRRHECYVVSRERU-UHFFFAOYSA-N
XLogP2.37
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-propanoyloxyhexyl 3-(benzotriazol-2-yl)-4-hydroxybenzoate
CID 171768345
5-prop-2-enoyloxypentyl 2-(benzotriazol-2-yl)-4-methylbenzoate
CID 171768564
3-[4-hydroxy-3-[5-(trifluoromethyl)benzotriazol-2-yl]phenyl]propyl prop-2-enoate
CID 22034026
2-[3-(benzotriazol-2-yl)-4-hydroxyphenyl]ethyl 3-[butyl(2-prop-2-enoyloxyethylcarbamoyl)amino]-2-methylpropanoate
CID 163479471
N-[3-(benzotriazol-2-yl)-4-hydroxyphenyl]prop-2-enamide
CID 139745783
5-[(2-phenylbenzoyl)amino]pentyl prop-2-enoate
CID 171768588
3-[3-(benzotriazol-2-yl)-4-hydroxyphenoxy]propyl 2-hydroxybut-2-enoate
CID 67847766
4-[(5-hydroxynaphthalen-1-yl)carbamoylamino]butyl prop-2-enoate
CID 18668271
[3-[4-[[2,5-bis[[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy]benzoyl]amino]butylcarbamoyl]-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 87163834
[4-[5-(benzotriazol-2-yl)-2,4-dihydroxybenzoyl]-3-hydroxyphenyl] prop-2-enoate
CID 22964453
3-(4-ethylbenzotriazol-2-yl)-4-hydroxybenzoic acid
CID 175126102
1-[3-(benzotriazol-2-yl)-4-hydroxyphenyl]butyl 2-methylprop-2-enoate;1-[3-(benzotriazol-2-yl)-4-hydroxyphenyl]propyl prop-2-enoate
CID 174980898

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(benzotriazol-2-yl)-4-hydroxybenzoyl]amino]butyl prop-2-enoate?
The IUPAC name of 4-[[3-(benzotriazol-2-yl)-4-hydroxybenzoyl]amino]butyl prop-2-enoate (CID 171768604) is 4-[[3-(benzotriazol-2-yl)-4-hydroxybenzoyl]amino]butyl prop-2-enoate.
What is the SMILES notation for 4-[[3-(benzotriazol-2-yl)-4-hydroxybenzoyl]amino]butyl prop-2-enoate?
The canonical SMILES for 4-[[3-(benzotriazol-2-yl)-4-hydroxybenzoyl]amino]butyl prop-2-enoate is C=CC(=O)OCCCCNC(=O)c1ccc(O)c(-n2nc3ccccc3n2)c1.
What is the InChIKey of 4-[[3-(benzotriazol-2-yl)-4-hydroxybenzoyl]amino]butyl prop-2-enoate?
The InChIKey is SRRHECYVVSRERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-2-19(26)28-12-6-5-11-21-20(27)14-9-10-18(25)17(13-14)24-22-15-7-3-4-8-16(15)23-24/h2-4,7-10,13,25H,1,5-6,11-12H2,(H,21,27).
What are the key properties of 4-[[3-(benzotriazol-2-yl)-4-hydroxybenzoyl]amino]butyl prop-2-enoate?
4-[[3-(benzotriazol-2-yl)-4-hydroxybenzoyl]amino]butyl prop-2-enoate has a molecular weight of 380.40 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(benzotriazol-2-yl)-4-hydroxybenzoyl]amino]butyl prop-2-enoate is sourced from PubChem (CID 171768604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).